SCHEMBL10734762

SCHEMBL10734762

Cc1cc(Cl)ccc1OCC(=O)Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ LMNA P02545 5/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ MAPT P10636 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ POLB P06746 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11640730 0.85 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL1195318 0.85 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL8605798 0.85 CYP1A2 (0.64) MEN1KMT2ACYP1A2CYP2C9HIF1A
Metaxon SCHEMBL117877 0.85 TDP1 (0.70) MEN1KMT2ACYP1A2CYP2C9HIF1A
Metaxon SCHEMBL3533162 0.83 TDP1 (0.68) MEN1KMT2ACYP1A2CYP2C9HIF1A
Metaxon SCHEMBL28800416 0.83 TDP1 (0.68) MEN1KMT2ACYP1A2CYP2C9HIF1A
Metaxon SCHEMBL27616565 0.83 TDP1 (0.68) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL11872902 0.83 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL1831224 0.83 CYP1A2 (0.62) MEN1KMT2ACYP1A2CYP2C9HIF1A
Metaxon SCHEMBL27765431 0.83 TDP1 (0.68) MEN1KMT2ACYP1A2CYP2C9HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708733-A Herbicidal 4-chloro-aryloxy-acetyl- and 4-chloro-aryloxy-propionyl-malonates BUDAPESTI VEGYIMUVEK (HU) 1987-11-24 — — US disclosed
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